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CAREER: Bicrystallography-informed Mechanics of Two-dimensional Heterointerfaces

职业：基于双晶学的二维异质界面力学

基本信息

批准号：
2239734
负责人：
Nikhil Chandra Admal
金额：
$ 60.78万
依托单位：
University of Illinois at Urbana-Champaign
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2023
资助国家：
美国
起止时间：
2023-02-01 至 2028-01-31
项目状态：
未结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=2239734&HistoricalAwards=false
关键词：
CAREER Bicrystallography informed Mechanics Two

项目摘要

This Faculty Early Career Development (CAREER) award will support research to explore how strain can be used to study the structural response of heterointerfaces for the design and synthesis of atomically thin two-dimensional materials systems. Heterostructures formed by stacking distinct two-dimensional materials demonstrate exceptional mechanical and electronic properties, such as superlubricity, high strain tolerance, and correlated electronic physics. These properties originate from the van der Waals interactions at the heterointerfaces formed by the two-dimensional materials. A fundamental feature that dictates the structural response of a heterointerface is the degree of incommensurability or incompatibility between the atomic lattices that form it. However, the problem of quantifying incommensurability and its effect on the structural response remains a fundamental open question, which will be explored in this project. The success of this study will lead to a theoretical and computational framework to strain engineer two-dimensional materials systems for applications such as next generation nanolubricants and electronic and optoelectronic devices. On the education and outreach front, the project will develop transdisciplinary STEAM activities wherein Art and Science complement each other. These activities will involve working directly with undergraduate and high school students and collaborating with high school teachers to develop learning modules centered around the science and art behind overlapping two-dimensional atomic lattices. The dominant influence of bicrystallography on the design, synthesis, and transfer of two-dimensional materials systems and the ability to control the local microstructure using strain applied at the macroscale motivate this project's goal: to realize the full potential of strain engineering as a route to modulate the atomic reconstruction in heterointerfaces for functional performance gains. The objective is to completely characterize the response of heterointerfaces to temperature and shear and normal forces in terms of the interface's microstructure. This study will develop a unified framework wherein bicrystallography takes center stage to explore how a structural response to incommensurability manifests in interfacial dislocation behavior. Bicrystallography will be examined using algebraic tools like the Smith normal form to reveal the translational symmetry of the heterointerfaces and characterize their interface dislocations. Strain and substrate engineering will be realized by the modeling of interface dislocations and substrate lattice steps at the continuum and mesoscale. The outcome will lead to a new understanding of how structural properties emerge from van der Waals interactions and pave the way for a systematic design and large-scale synthesis of heterostructures.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

该学院早期职业发展（CAREER）奖将支持研究探索如何使用应变来研究原子薄二维材料系统的设计和合成的异质界面的结构响应。通过堆叠不同的二维材料形成的异质结构表现出优异的机械和电子特性，例如超润滑性、高应变容限和相关的电子物理。这些性质来源于二维材料异质界面处的货车范德华相互作用。决定异质界面结构响应的一个基本特征是形成异质界面的原子晶格之间的不相容性或不相容性的程度。然而，量化不相容性及其对结构响应的影响的问题仍然是一个基本的开放问题，这将在本项目中进行探索。这项研究的成功将导致一个理论和计算框架，以应变工程二维材料系统的应用，如下一代纳米润滑剂和电子和光电设备。在教育和外展方面，该项目将开发跨学科的STEAM活动，其中艺术和科学相辅相成。这些活动将涉及直接与本科生和高中生合作，并与高中教师合作开发以重叠二维原子晶格背后的科学和艺术为中心的学习模块。biceletallography的设计，合成和二维材料系统的转移和能力，以控制局部微观结构的能力，在宏观尺度上施加应变的主导影响，促使这个项目的目标：实现应变工程的全部潜力作为一种途径，以调节在异质界面的原子重建功能性能增益。我们的目标是完全表征heterointerfaces的响应温度和剪切力和法向力的接口的微观结构。本研究将发展一个统一的架构，其中bicillallography采取中心阶段，探讨如何结构响应不可逆性表现在界面位错行为。将使用代数工具，如史密斯标准形，以揭示异质界面的平移对称性和表征其界面位错的bicliterallography检查。应变和衬底工程将通过在连续和介观尺度上模拟界面位错和衬底晶格台阶来实现。其结果将导致对结构特性如何从货车德瓦尔斯相互作用中产生的新理解，并为异质结构的系统设计和大规模合成铺平道路。该奖项反映了NSF的法定使命，并被认为值得通过使用基金会的智力价值和更广泛的影响审查标准进行评估来支持。